[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea

C7H12N6O2 — CID 146679233

IUPAC[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea
SMILESCCOc1nc(NC)nc(NC(N)=O)n1
InChIInChI=1S/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14)
InChIKeyUJPIANHRVQBZPO-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.20
Rot. Bonds4

About [4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea

[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea (PubChem CID 146679233) has the molecular formula C7H12N6O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is [4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea.

Molecular Properties

Compound Name[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea
PubChem CID146679233
Molecular FormulaC7H12N6O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea
SMILESCCOc1nc(NC)nc(NC(N)=O)n1
InChIInChI=1S/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14)
InChIKeyUJPIANHRVQBZPO-UHFFFAOYSA-N
XLogP-0.20
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Stk076603
CID 1375559
2-Amino-6-ethoxy-4-methylamino-1,3,5-triazine
CID 693795
N-(4-Amino-6-ethoxy-1,3,5-triazin-2-yl)urea
CID 13296069
s-Triazine-1,3,5-triamine, N,N',N''-tris(ethoxymethyl)-
CID 3057112
4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19777647
2-N-methyl-6-(1,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 19870950
N-[4-(Dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2-yl]urea
CID 23039279
[4-Methoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]urea
CID 57148636
N,N'-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 1375558
6-Ethoxy-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
CID 45091341
4-methoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80859093
4-ethoxy-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80859177

Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea?
The IUPAC name of [4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea (CID 146679233) is [4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea.
What is the SMILES notation for [4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea?
The canonical SMILES for [4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea is CCOc1nc(NC)nc(NC(N)=O)n1.
What is the InChIKey of [4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea?
The InChIKey is UJPIANHRVQBZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O2/c1-3-15-7-12-5(9-2)11-6(13-7)10-4(8)14/h3H2,1-2H3,(H4,8,9,10,11,12,13,14).
What are the key properties of [4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea?
[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea has a molecular weight of 212.21 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]urea is sourced from PubChem (CID 146679233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).